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294197-07-2 | 2-Pyrimidinamine, 5-bromo-4-methyl-6-(trifluoromethyl)-
CAS No: 294197-07-2 Catalog No: AG002YBG MDL No:
Product Description
Catalog Number:
AG002YBG
Chemical Name:
2-Pyrimidinamine, 5-bromo-4-methyl-6-(trifluoromethyl)-
CAS Number:
294197-07-2
Molecular Formula:
C6H5BrF3N3
Molecular Weight:
256.0232
IUPAC Name:
5-bromo-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
InChI:
InChI=1S/C6H5BrF3N3/c1-2-3(7)4(6(8,9)10)13-5(11)12-2/h1H3,(H2,11,12,13)
InChI Key:
CCEMDRJAIZCRRK-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)C(F)(F)F)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.026g/mol
Monoisotopic Mass:
254.962g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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